SCHEMBL8554740

SCHEMBL8554740

N=C1CCOCC(C(CNC[C@H](N)C(=O)O)c2ccccc2)N1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
S1PR4 O95977 4/20 0.31
S1PR5 Q9H228 3/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9093259 0.78 TAAR1 (0.33)
SCHEMBL9095135 0.73
SCHEMBL9095127 0.73
SCHEMBL6973304 0.69 MAPT (0.35)
SCHEMBL8552805 0.63 KDM4E (0.30)
SCHEMBL9093806 0.63 NPC1 (0.35) MEN1KMT2A
SCHEMBL6976764 0.62 MEN1 (0.46) MEN1KMT2A
SCHEMBL6970182 0.60 SLC6A3 (0.39) SLC1A2SLC1A1
SCHEMBL17434128 0.59 PTGS1 (0.50) KMT2AGRM2GRM3SLC1A2SLC1A1
SCHEMBL6969217 0.59 SLC6A2 (0.36) MEN1KMT2AIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed